2-[(3-chloro-4-fluorophenyl)methyl]-3-(3-methylphenyl)propan-1-amine

C17H19ClFN — CID 103040965

IUPAC2-[(3-chloro-4-fluorophenyl)methyl]-3-(3-methylphenyl)propan-1-amine
SMILESCc1cccc(CC(CN)Cc2ccc(F)c(Cl)c2)c1
InChIInChI=1S/C17H19ClFN/c1-12-3-2-4-13(7-12)8-15(11-20)9-14-5-6-17(19)16(18)10-14/h2-7,10,15H,8-9,11,20H2,1H3
InChIKeyQXLPVXXAZDKHPU-UHFFFAOYSA-N
MW291.80 g/mol
LogP4.15
Rot. Bonds5

About 2-[(3-chloro-4-fluorophenyl)methyl]-3-(3-methylphenyl)propan-1-amine

2-[(3-chloro-4-fluorophenyl)methyl]-3-(3-methylphenyl)propan-1-amine (PubChem CID 103040965) has the molecular formula C17H19ClFN and a molecular weight of 291.80 g/mol. Its IUPAC name is 2-[(3-chloro-4-fluorophenyl)methyl]-3-(3-methylphenyl)propan-1-amine.

Molecular Properties

Compound Name2-[(3-chloro-4-fluorophenyl)methyl]-3-(3-methylphenyl)propan-1-amine
PubChem CID103040965
Molecular FormulaC17H19ClFN
Molecular Weight291.80 g/mol
Exact Mass291.12
IUPAC Name2-[(3-chloro-4-fluorophenyl)methyl]-3-(3-methylphenyl)propan-1-amine
SMILESCc1cccc(CC(CN)Cc2ccc(F)c(Cl)c2)c1
InChIInChI=1S/C17H19ClFN/c1-12-3-2-4-13(7-12)8-15(11-20)9-14-5-6-17(19)16(18)10-14/h2-7,10,15H,8-9,11,20H2,1H3
InChIKeyQXLPVXXAZDKHPU-UHFFFAOYSA-N
XLogP4.15
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.80
LogP ≤ 54.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

2-[(4-chlorophenyl)methyl]-3-(3-methylphenyl)propan-1-amine
CID 62530370
2-[(3-chloro-4-fluorophenyl)methyl]-3-(3-methylphenyl)propan-1-ol
CID 103041983
2-[(3-fluorophenyl)methyl]-3-(3-methylphenyl)propan-1-amine
CID 62529987
2-[(2,4-difluorophenyl)methyl]-3-(3-methylphenyl)propan-1-amine
CID 62530586
1-(3-chloro-4-fluorophenyl)propan-2-amine
CID 55254568
2-[(3,4-difluorophenyl)methyl]-3-(4-methylphenyl)propan-1-amine
CID 82930150
2-[(3,4-dichlorophenyl)methyl]-3-(4-methylphenyl)propan-1-amine
CID 63496513
3-(3-chloro-4-fluorophenyl)-2-(3-methylphenyl)propan-1-ol
CID 103041993
1-(3-chloro-4-fluorophenyl)-N-methyl-N-[(3-methylphenyl)methyl]ethane-1,2-diamine
CID 81146872
2-[(3,4-dichlorophenyl)methyl]-N-methyl-3-(3-methylphenyl)propan-1-amine
CID 63522087
2-[(5-chloro-2-fluorophenyl)methyl]-3-(3-methylphenyl)propan-1-ol
CID 103051205
4-methoxy-2-[(3-methylphenyl)methyl]butan-1-amine
CID 62529986

Frequently Asked Questions

What is the IUPAC name of 2-[(3-chloro-4-fluorophenyl)methyl]-3-(3-methylphenyl)propan-1-amine?
The IUPAC name of 2-[(3-chloro-4-fluorophenyl)methyl]-3-(3-methylphenyl)propan-1-amine (CID 103040965) is 2-[(3-chloro-4-fluorophenyl)methyl]-3-(3-methylphenyl)propan-1-amine.
What is the SMILES notation for 2-[(3-chloro-4-fluorophenyl)methyl]-3-(3-methylphenyl)propan-1-amine?
The canonical SMILES for 2-[(3-chloro-4-fluorophenyl)methyl]-3-(3-methylphenyl)propan-1-amine is Cc1cccc(CC(CN)Cc2ccc(F)c(Cl)c2)c1.
What is the InChIKey of 2-[(3-chloro-4-fluorophenyl)methyl]-3-(3-methylphenyl)propan-1-amine?
The InChIKey is QXLPVXXAZDKHPU-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19ClFN/c1-12-3-2-4-13(7-12)8-15(11-20)9-14-5-6-17(19)16(18)10-14/h2-7,10,15H,8-9,11,20H2,1H3.
What are the key properties of 2-[(3-chloro-4-fluorophenyl)methyl]-3-(3-methylphenyl)propan-1-amine?
2-[(3-chloro-4-fluorophenyl)methyl]-3-(3-methylphenyl)propan-1-amine has a molecular weight of 291.80 g/mol, XLogP of 4.15, 5 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(3-chloro-4-fluorophenyl)methyl]-3-(3-methylphenyl)propan-1-amine is sourced from PubChem (CID 103040965), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).